Ethyl N-[4-[[(2R)-2-(Imidazol-1-Ylmethyl)-2-(4-Methoxyphenyl)-1,3-Dioxolan-4-Yl]Methylsulfanyl]Phenyl]Carbamate
[CAS# 124784-31-2]

Identification

• Name: Ethyl N-[4-[[(2R)-2-(Imidazol-1-Ylmethyl)-2-(4-Methoxyphenyl)-1,3-Dioxolan-4-Yl]Methylsulfanyl]Phenyl]Carbamate
• Synonyms: N-[4-[[(2R)-2-(1-Imidazolylmethyl)-2-(4-Methoxyphenyl)-1,3-Dioxolan-4-Yl]Methylthio]Phenyl]Carbamic Acid Ethyl Ester; N-[4-[[(2R)-2-(Imidazol-1-Ylmethyl)-2-(4-Methoxyphenyl)-1,3-Dioxolan-4-Yl]Methylthio]Phenyl]Carbamic Acid Ethyl Ester; Ethyl (+-)-Cis-P-(((2-(Imidazol-1-Ylmethyl)-2-(P-Methoxyphenyl)-1,3-Dioxolan-4-Yl)Methyl)Thio)Carbanilate
• Molecular Formula: C₂₄H₂₇N₃O₅S
• Molecular Weight: 469.55
• CAS Registry Number: 124784-31-2
• SMILES: [C@@]1(OC(CO1)CSC2=CC=C(NC(OCC)=O)C=C2)(C3=CC=C(OC)C=C3)C[N]4C=NC=C4
• InChI: 1S/C24H27N3O5S/c1-3-30-23(28)26-19-6-10-22(11-7-19)33-15-21-14-31-24(32-21,16-27-13-12-25-17-27)18-4-8-20(29-2)9-5-18/h4-13,17,21H,3,14-16H2,1-2H3,(H,26,28)/t21?,24-/m0/s1
• InChIKey: KLEPCGBEXOCIGS-FHZUCYEKSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 632.861°C at 760 mmHg (Cal.)
• Flash point: 336.543°C (Cal.)